Added structure creation from InChIKeys using PubChem to dereference.

molssi-seamm / molsystem

Molsystem provides a general class for handling molecular and periodic systems

GNU Lesser General Public License v3.0

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Closed paulsaxe closed 1 year ago

codecov[bot] commented 1 year ago

Merging #62 (3d34a00) into main (a9e74d3) will increase coverage by 0.11%. The diff coverage is 89.28%.

Additional details and impacted files